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Moved utils to subfolder and fixed imports to package path
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Deleted PyQt5 dev package
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JosePizarro3 committed May 28, 2024
1 parent 2b61bcf commit 51eaeb1
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Showing 8 changed files with 28 additions and 13 deletions.
1 change: 0 additions & 1 deletion pyproject.toml
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Expand Up @@ -33,7 +33,6 @@ dev = [
'ruff',
"structlog==22.3.0",
"lxml_html_clean>=0.1.0",
"PyQt5==5.15.10",
]

[tool.ruff]
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2 changes: 1 addition & 1 deletion src/pyssmf/hopping_pruning.py
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Expand Up @@ -17,7 +17,7 @@
import numpy as np
import logging

from .schema import Model
from pyssmf.schema import Model


class Pruner:
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4 changes: 2 additions & 2 deletions src/pyssmf/parsing.py
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Expand Up @@ -23,8 +23,8 @@
from nomad.units import ureg

# NOMAD schema
from .schema import System, BravaisLattice, Model
from .utils import get_files
from pyssmf.schema import System, BravaisLattice, Model
from pyssmf.utils import get_files

re_n = r'[\n\r]'

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12 changes: 6 additions & 6 deletions src/pyssmf/runner.py
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Expand Up @@ -18,12 +18,12 @@
import os
from scipy.stats import norm

from .input import ValidLatticeModels
from .schema import Model
from .parsing import MinimalWannier90Parser, ToyModels
from .hopping_pruning import Pruner
from .tb_hamiltonian import TBHamiltonian
from .visualization import plot_hopping_matrices, plot_band_structure, plot_dos
from pyssmf.input import ValidLatticeModels
from pyssmf.schema import Model
from pyssmf.parsing import MinimalWannier90Parser, ToyModels
from pyssmf.hopping_pruning import Pruner
from pyssmf.tb_hamiltonian import TBHamiltonian
from pyssmf.visualization import plot_hopping_matrices, plot_band_structure, plot_dos


class Runner(ValidLatticeModels):
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4 changes: 2 additions & 2 deletions src/pyssmf/tb_hamiltonian.py
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Expand Up @@ -19,10 +19,10 @@
import ase
from ase.spacegroup import get_spacegroup, spacegroup
from ase.dft.kpoints import monkhorst_pack, BandPath

from nomad.atomutils import Formula
from nomad.units import ureg
from .schema import Model

from pyssmf.schema import Model


class KSampling:
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17 changes: 17 additions & 0 deletions src/pyssmf/utils/__init__.py
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@@ -0,0 +1,17 @@
#
# Copyright: Dr. José M. Pizarro.
#
# Licensed under the Apache License, Version 2.0 (the "License");
# you may not use this file except in compliance with the License.
# You may obtain a copy of the License at
#
# http://www.apache.org/licenses/LICENSE-2.0
#
# Unless required by applicable law or agreed to in writing, software
# distributed under the License is distributed on an "AS IS" BASIS,
# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
# See the License for the specific language governing permissions and
# limitations under the License.
#

from .utils import get_files, extract_hdf5_dataset
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1 change: 0 additions & 1 deletion src/pyssmf/visualization.py
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Expand Up @@ -15,7 +15,6 @@
#

import numpy as np
import PyQt5 # noqa: F401

import matplotlib.pyplot as plt
from matplotlib.widgets import Slider
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